Bis(2-methylpropyl) 2-hydroxybutanedioate
TL;DR: Bis(2-methylpropyl) 2-hydroxybutanedioate (CAS 98676-80-3) is a chemical compound with molecular formula C12H22O5 and molecular weight 246.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl) 2-hydroxybutanedioate
Also Known As: diisobutyl-dl-malate, bis(2-methylpropyl) 2-hydroxybutanedioate
| Molecular Formula | C12H22O5 |
|---|---|
| Molecular Weight | 246.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 246.14673 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 98676-80-3 |
|---|---|
| SMILES | CC(C)COC(=O)CC(C(=O)OCC(C)C)O |
| InChIKey | XVHXVNGVDQZTHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-methylpropyl) 2-hydroxybutanedioate (CAS 98676-80-3), with molecular formula C12H22O5 and molecular weight 246.15 g/mol. IUPAC: bis(2-methylpropyl) 2-hydroxybutanedioate.
Chemical Property Profile of Bis(2-methylpropyl) 2-hydroxybutanedioate
Property Insights of Bis(2-methylpropyl) 2-hydroxybutanedioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-methylpropyl) 2-hydroxybutanedioate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2-methylpropyl) 2-hydroxybutanedioate. Following Lipinski's Rule of Five, Bis(2-methylpropyl) 2-hydroxybutanedioate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2-methylpropyl) 2-hydroxybutanedioate?
The CAS number of Bis(2-methylpropyl) 2-hydroxybutanedioate is 98676-80-3.
What is the molecular formula of Bis(2-methylpropyl) 2-hydroxybutanedioate?
The molecular formula of Bis(2-methylpropyl) 2-hydroxybutanedioate is C12H22O5.
What is the molecular weight of Bis(2-methylpropyl) 2-hydroxybutanedioate?
The molecular weight of Bis(2-methylpropyl) 2-hydroxybutanedioate is 246.15 g/mol.
Where can I buy Bis(2-methylpropyl) 2-hydroxybutanedioate?
You can request a quote for Bis(2-methylpropyl) 2-hydroxybutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-methylpropyl) 2-hydroxybutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-methylpropyl) 2-hydroxybutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.